CID 23023

1-naphthaleneacetic acid, alpha-isopropyl-alpha-(3-piperidinopropyl)-, hydrochloride

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC(C)C(CCCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C23H31NO2/c1-18(2)23(22(25)26,14-9-17-24-15-6-3-7-16-24)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8,10-13,18H,3,6-7,9,14-17H2,1-2H3,(H,25,26)
InChIKey
ZNMFYZAQUSCEFL-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 189.2
[M+Na]+ 376.22469 190.4
[M-H]- 352.22819 191.6
[M+NH4]+ 371.26929 200.0
[M+K]+ 392.19863 185.4
[M+H-H2O]+ 336.23273 180.0
[M+HCOO]- 398.23367 199.9
[M+CH3COO]- 412.24932 214.2
[M+Na-2H]- 374.21014 190.0
[M]+ 353.23492 185.1
[M]- 353.23602 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.